SCHEMBL12594251

SCHEMBL12594251

Cc1cnc(C(=O)c2ccnc3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.63
CCR2 P41597 15/20 0.62
CYP2C9 P11712 5/20 0.51
CYP2C19 P33261 4/20 0.44
CCR4 P51679 3/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CCR5 P51681 1/20 0.42
BRAF P15056 1/20 0.39
TNNI3K Q59H18 1/20 0.39
NUDT1 P36639 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21325745 0.91 CYP3A4 (0.60) CYP3A4CCR2CYP2C9CYP2C19CCR4
SCHEMBL1762514 0.91 CYP2C9 (0.61) CYP3A4CCR2CYP2C9CYP2C19CCR4
SCHEMBL1762385 0.90 CYP3A4 (0.79) CYP3A4CCR2CYP2C9
SCHEMBL26066327 0.89 CYP3A4 (0.56) CYP3A4CCR2CYP2C9CYP2C19CYP1A2
SCHEMBL1762319 0.87 CYP2C9 (0.57) CYP3A4CCR2CYP2C9CYP2C19CCR4
SCHEMBL1762314 0.86 CYP2C9 (0.58) CYP3A4CCR2CYP2C9CYP2C19CCR4
SCHEMBL1762423 0.86 CYP2C9 (0.56) CYP3A4CCR2CYP2C9CYP2C19CCR4
SCHEMBL127931 0.86 CCR2 (0.81) CYP3A4CCR2CYP2C9CYP2C19CCR4
SCHEMBL1188458 0.85 CCR2 (0.57) CYP3A4CCR2CYP2C9CYP2C19CCR4
SCHEMBL12595137 0.84 CYP2C9 (0.53) CYP3A4CCR2CYP2C9CYP2C19CCR4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2022-09-06 US disclosed
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. 2020-05-14 US disclosed
US-10206912-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2019-02-19 US disclosed
US-20170095458-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2017-04-06 US disclosed
US-20170095458-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2017-04-06 US disclosed
US-20140031348-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX INC (US) 2014-01-30 US disclosed
US-20140031348-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX INC (US) 2014-01-30 US disclosed
US-8519135-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2013-08-27 US disclosed
US-20110118248-A1 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. 2011-05-19 US disclosed
US-20110118248-A1 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. 2011-05-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 CYP3A4 1934/4885CCR2 1/4885CYP2C9 192/4885
US-10206912-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 CYP3A4 1934/4885CCR2 1/4885CYP2C9 192/4885
US-20140031348-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 CYP3A4 1934/4885CCR2 1/4885CYP2C9 192/4885
US-20170095458-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 CYP3A4 1934/4885CCR2 1/4885CYP2C9 192/4885
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 CYP3A4 1934/4885CCR2 1/4885CYP2C9 192/4885
US-20110118248-A1 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 CYP3A4 1934/4885CCR2 1/4885CYP2C9 192/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.